SCHEMBL6863606

SCHEMBL6863606

Cc1nc(-c2cccc3oc(Cc4cccc(C(F)(F)F)c4)cc23)sc1C(=O)NCCO

nearest known ligand 0.67

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
GPR52 Q9Y2T5 17/20 0.67
HTR2B P41595 1/20 0.46
CHRM4 P08173 1/20 0.44
PPARA Q07869 1/20 0.44
ALDH1A1 P00352 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL6864601 0.89 GPR52 (0.53) GPR52CHRM4PPARAALDH1A1SMN1; SMN2
SCHEMBL13505716 0.87 SMN1; SMN2 (0.57) GPR52PPARAALDH1A1SMN1; SMN2
SCHEMBL6864668 0.86 GPR52 (0.51) GPR52PPARAALDH1A1SMN1; SMN2
SCHEMBL13505788 0.84 MAPT (0.51) GPR52ALDH1A1SMN1; SMN2
SCHEMBL6864348 0.83 GPR52 (0.69) GPR52HTR2BPPARA
SCHEMBL1850359 0.81 GPR52 (0.78) GPR52HTR2B
SCHEMBL1850015 0.80 GPR52 (1.00) GPR52
SCHEMBL6864264 0.80 GPR52 (0.67) GPR52CHRM4PPARA
SCHEMBL6864979 0.77 GPR52 (0.69) GPR52HTR2B
SCHEMBL6866406 0.75 GPR52 (0.71) GPR52PPARA

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2518054-A1 AMIDE COMPOUND Takeda Pharmaceutical Company Limited (JP) 2012-10-31 EP disclosed
WO-2011078360-A1 AMIDE COMPOUND 武田薬品工業株式会社 (JP) 2011-06-30 WO disclosed